Geometry & MOs

Info

ID:	280053
PubChem CID:	103846600
Reduced:	NSO2C8H13 (1)
Stoich.:	ABC2D8E13 (1)
Weight, g/mol:	265.179027
ΔH_f, kcal/mol:	-40.25
Dipole, Da:	5.47
IP(EA), eV:	-8.34(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-methyl-N-(4-methyl-2-nitrophenyl)-N'-propan-2-ylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CC(CNC(=O)C#C)(CSC)O

DOS

IR

Vibrations